SCHEMBL8548295

SCHEMBL8548295

Cc1oc2ccc(NC(=O)c3ccco3)cc2c1CCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
TP53 P04637 6/20 0.51
NPC1 O15118 5/20 0.51
PKM P14618 2/20 0.51
MAPT P10636 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8549838 0.82 ALDH1A1 (0.47) RAB9ASMN1; SMN2TP53NPC1PKM
SCHEMBL7143949 0.80 HTR1F (0.66) RAB9ASMN1; SMN2TP53NPC1PKM
SCHEMBL8552436 0.80 KMT2A (0.49) RAB9ASMN1; SMN2TP53NPC1PKM
SCHEMBL8549636 0.80 HTR1F (0.51) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL8552580 0.80 HTR1F (0.65) RAB9ASMN1; SMN2TP53NPC1MAPT
SCHEMBL8547488 0.80 HTR1F (0.53) RAB9ASMN1; SMN2NPC1MAPTHSD17B10
SCHEMBL8549211 0.78 HTR1F (0.49) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL8552089 0.78 HTR1F (0.52) RAB9ASMN1; SMN2TP53NPC1MAPT
SCHEMBL8692074 0.78 HPGD (0.45) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL8551309 0.78 RAB9A (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed